SCHEMBL483960

SCHEMBL483960

O=C(O)N(CC(O)C[N+](=O)[O-])c1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
SLC6A9 P48067 4/20 0.40
SLC6A5 Q9Y345 3/20 0.40
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CASP1 P29466 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL483962 1.00 NPC1 (0.43) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL483946 0.87 MAPT (0.47) NPC1HPGDSMN1; SMN2RAB9AALDH1A1
SCHEMBL483882 0.87 NPC1 (0.40) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL15618875 0.86 NPC1 (0.47) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL15618877 0.86 NPC1 (0.47) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL484062 0.85 NPC1 (0.46) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL18595785 0.85 NPC1 (0.46) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL483861 0.85 MAPT (0.40) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL8425426 0.82 NPC1 (0.50) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL483886 0.81 LMNA (0.48) NPC1HPGDSMN1; SMN2RAB9ATP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2072505-B1 A process for the preparation of oxazolidinone derivatives DIPHARMA FRANCIS SRL (IT) 2012-02-01 EP claimed